SCHEMBL7269243

SCHEMBL7269243

OC(CCl)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
LMNA P02545 3/20 0.64
GAA P10253 2/20 0.64
SIGMAR1 Q99720 2/20 0.62
IGF1R P08069 1/20 0.57
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MC4R P32245 1/20 0.53
ATM Q13315 1/20 0.53
ABCB1 P08183 2/20 0.52
DRD4 P21917 1/20 0.51
POLB P06746 1/20 0.51
CCR3 P51677 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29201748 0.86 KDM4E (0.66) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL12781846 0.86 KDM4E (0.66) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL12858908 0.85 KDM4E (0.64) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL18159894 0.82 KDM4E (0.60) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL10572259 0.81 ADRA2A (0.73) KDM4EGAAIGF1RALDH1A1DRD4
SCHEMBL7523946 0.81 SMN1; SMN2 (0.60) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL24672242 0.81 KDM4E (0.68) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL1394535 0.81 KDM4E (0.68) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL21797152 0.81 KDM4E (0.68) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL1394539 0.81 KDM4E (0.68) KDM4ELMNAGAASIGMAR1IGF1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35072-E Cardiotonic agents and antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1995-10-24 US disclosed
US-5405847-A Antiallergic, antiasthmatic, anxiolytic, hypotensive agents ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
EP-0584487-A2 4,5-Dihydro-4-oxopyrrolo (1,2-a) quinoxalines and aza-analoges and process for their preparation ASTA Medica Aktiengesellschaft (DE) 1994-03-02 EP disclosed
US-5252569-A Cardiotonic, antiarrythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-10-12 US disclosed
EP-0331511-B1 6-SUBSTITUTED PURINYL PIPERAZINE DERIVATIVES ORTHO PHARMACEUTICAL CORPORATION (US) 1993-07-28 EP disclosed
US-5164390-A Cardiac disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 US disclosed
EP-0458618-A1 6-Substituted purinyl piperazine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-27 EP disclosed
US-5021574-A Cardiotonic agents, antiarrhythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-06-04 US disclosed
US-5001127-A 4-substituted pyrazolo[3,4-d]pyrimidine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-03-19 US disclosed
US-4885300-A CARDIOTONIC AND ANTIARRHYTHMIA AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-12-05 US disclosed
US-4876257-A 6-Substituted purinyl piperazine derivatives useful as cardiotonic and antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1989-10-24 US disclosed
EP-0331510-A2 4-Substituted pyrazolo[3,4-d]pyrimidine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1989-09-06 EP disclosed
EP-0331511-A1 6-Substituted purinyl piperazine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1989-09-06 EP disclosed