SCHEMBL7225640

SCHEMBL7225640

Cc1ccccc1-c1cccc2[nH]c3c(c12)CCNCC3

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 2/20 0.51
TAAR1 Q96RJ0 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HTR5A P47898 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
PARP1 P09874 9/20 0.40
CD274 Q9NZQ7 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
Hydrochloric Acid SCHEMBL6474657 0.99 HTR2A (0.51) HTR2AHTR2CHTR7TAAR1KDM4E
SCHEMBL6475429 0.83 HTR2A (0.53) HTR2AHTR2CHTR7TAAR1KDM4E
SCHEMBL6475068 0.83 HTR2A (0.53) HTR2AHTR2CHTR7TAAR1KDM4E
SCHEMBL6475419 0.82 HTR2A (0.55) HTR2AHTR2CHTR7TAAR1KDM4E
SCHEMBL7227445 0.82 HTR2C (0.49) HTR2AHTR2CHTR7TAAR1KDM4E
Hydrochloric Acid SCHEMBL6474628 0.82 HTR2A (0.51) HTR2AHTR2CHTR7TAAR1KDM4E
Hydrochloric Acid SCHEMBL6476137 0.81 CYP1A2 (0.44) HTR2AHTR2CHTR7TAAR1NISCH
Hydrochloric Acid SCHEMBL6473408 0.81 HTR2C (0.48) HTR2AHTR2CHTR7TAAR1PARP1
Hydrochloric Acid SCHEMBL6474048 0.81 HTR2A (0.57) HTR2AHTR2CTAAR1KDM4EHTR5A
SCHEMBL6475897 0.80 HTR2A (0.47) HTR2AHTR2CHTR7TAAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed