SCHEMBL10550233

SCHEMBL10550233

O=c1[nH]c2ccccc2c(=O)n1CCCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
HRH1 P35367 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
DRD2 P14416 1/20 0.49
HPGD P15428 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL9537082 0.87 HTR2A (0.56) HRH1MEN1ALDH1A1LMNACYP1A2
SCHEMBL10549103 0.86 SLC18A2 (0.53) ACHEHRH1MEN1ALDH1A1LMNA
SCHEMBL9740363 0.86 SSTR5 (0.66) HRH1MEN1LMNACYP1A2CYP3A4
SCHEMBL9536214 0.85 SLC18A2 (0.53) ACHEHRH1MEN1ALDH1A1LMNA
SCHEMBL10551946 0.85 TSHR (0.52) ACHEHRH1MEN1ALDH1A1LMNA
SCHEMBL10552682 0.82 USP2 (0.47) HRH1MEN1LMNACYP1A2CYP3A4
SCHEMBL10546931 0.82 GRIN1 (0.47) HRH1MEN1LMNACYP1A2CYP3A4
SCHEMBL9539669 0.81 RAB9A (0.52) HRH1MEN1LMNACYP1A2CYP3A4
SCHEMBL10550542 0.81 SLC18A2 (0.55) ACHEHRH1MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL10550967 0.80 NOS2 (0.42) HRH1KCNH2SSTR5HRH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed