SCHEMBL11235916

SCHEMBL11235916

CCCCN1C(=O)COC2(CCNCC2)C1CC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ABL1 P00519 2/20 0.32
RIN1 Q13671 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HIF1A Q16665 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL11227136 0.82 HTR2A (0.31) HTR2AHTR2C
SCHEMBL11281691 0.76 DRD2 (0.39) HTR2AHTR2CKDM4ELMNA
SCHEMBL11281688 0.75 SIGMAR1 (0.53) MAPTLMNA
SCHEMBL11221605 0.73
SCHEMBL11285391 0.70 DRD2 (0.50)
SCHEMBL11219429 0.69 DRD2 (0.41) ALDH1A1HTR2ALMNAHIF1A
SCHEMBL11226992 0.69 ALDH1A1 (0.35) TP53ALDH1A1MAPTTDP1KDM4E
SCHEMBL11236265 0.68
SCHEMBL11231286 0.67
SCHEMBL11238152 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4353901-A HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed
US-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed
EP-0061333-A1 9-(2-(3-Indolyl)ethyl)-1-oxa-4,9-diazaspiro(5.5)undecan-3-ones SYNTEX (U.S.A.) INC. (US) 1982-09-29 EP disclosed
US-4332804-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIA, MIGRAINE, VASOSPASTIC DISORDERS AND ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-06-01 US disclosed