SCHEMBL8304057

SCHEMBL8304057

O=C(NCc1cccc2ccccc12)C1CCCN1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.55
HTR2B P41595 3/20 0.55
GID4 Q8IVV7 1/20 0.54
P2RX7 Q99572 1/20 0.53
MC4R P32245 2/20 0.50
MC1R Q01726 2/20 0.50
MC3R P41968 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 1/20 0.45
EPHX2 P34913 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
DPP4 P27487 1/20 0.44

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
SCHEMBL8304059 1.00 HTR2C (0.55) HTR2CHTR2BGID4P2RX7MC4R
SCHEMBL18019717 0.82 PKM (0.57) HTR2CHTR2BGID4P2RX7
SCHEMBL7996653 0.82 GID4 (0.72) HTR2CHTR2BGID4P2RX7KDM4E
SCHEMBL7996650 0.82 GID4 (0.72) HTR2CHTR2BGID4P2RX7KDM4E
SCHEMBL30946666 0.81 P2RX7 (0.52) HTR2BP2RX7MC4RMC1RMC3R
SCHEMBL7874030 0.81 HTR2C (0.77) HTR2CHTR2BGID4MC4RKDM4E
SCHEMBL5154669 0.81 HTR2C (0.77) HTR2CHTR2BGID4MC4RKDM4E
SCHEMBL1789145 0.81 HTR2C (0.77) HTR2CHTR2BGID4MC4RKDM4E
Hydrochloric Acid SCHEMBL7607289 0.80 HTR2C (0.75) HTR2CHTR2BGID4MC4RKDM4E
Hydrochloric Acid SCHEMBL18337901 0.80 HTR2C (0.75) HTR2CHTR2BGID4MC4RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
US-5756528-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-05-26 US disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 WO disclosed