SCHEMBL9178579

SCHEMBL9178579

Cc1ccc2c(ccn2CCC#N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.53
▸ HTR2C P28335 3/20 0.53
▸ CDK4 P11802 4/20 0.49
▸ CCND1 P24385 4/20 0.49
▸ MAPT P10636 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PRMT5 O14744 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35

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
SCHEMBL8121319 0.81 HTR2C (0.55) HTR2AHTR2CMAPTPRMT5HTR7
SCHEMBL8128124 0.81 HTR2A (0.51) HTR2AHTR2CCDK4CCND1PRMT5
SCHEMBL17676473 0.80 HTR2A (0.58) HTR2AHTR2CCDK4CCND1MAPT
SCHEMBL11622820 0.78 HTR2A (0.57) HTR2AHTR2CCDK4CCND1MAPT
SCHEMBL13444442 0.77 HTR2C (0.64) HTR2AHTR2CCDK4CCND1MAPT
SCHEMBL18856946 0.77 HTR2A (0.55) HTR2AHTR2CCDK4CCND1MAPT
SCHEMBL29379279 0.76 CDK4 (0.68) HTR2AHTR2CCDK4CCND1
SCHEMBL3471412 0.76 CDK4 (0.68) HTR2AHTR2CCDK4CCND1
SCHEMBL22911457 0.76 PLG (0.47) PLGPLAU
SCHEMBL11084225 0.75 HTR2A (0.62) HTR2AHTR2CCDK4CCND1MAPT

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-5440046-A Angiotensin antagonist, hypotensive agent HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-08 — — US disclosed
EP-0450566-B1 Substituted azoles, method for their preparation, these containing compositions and their use HOECHST AG (DE) 1995-07-05 — — EP disclosed
US-5350751-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-27 — — US disclosed
EP-0450566-A1 Substituted azoles, method for their preparation, these containing compositions and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 — — EP disclosed
Send feedback