SCHEMBL9214402

SCHEMBL9214402

Cc1cc2c(cc1C)CC(=O)N(CC1CCCN(CCCCc3csc4ccccc34)C1)CC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
UTS2R Q9UKP6 3/20 0.36
PDE2A O00408 1/20 0.35
CHRNA7 P36544 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 5/20 0.34
MTNR1A P48039 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL9215411 0.99 HTR1A (0.38) HTR1AUTS2RPDE2ACHRNA7CRHBP
SCHEMBL9211495 0.94 HTR1A (0.42) HTR1AUTS2RPDE2ACHRNA7CRHBP
SCHEMBL9215232 0.92 HTR1A (0.40) HTR1AUTS2RPDE2ACHRNA7CRHBP
SCHEMBL9214709 0.92 HCN4 (0.41) HTR1ASMN1; SMN2MAPTDRD2SLC6A4
SCHEMBL9210593 0.91 HCN4 (0.40) HTR1ASMN1; SMN2MAPTDRD2SLC6A4
SCHEMBL9216989 0.91 HTR1A (0.36) HTR1AUTS2RPDE2ACHRNA7CRHBP
SCHEMBL9215741 0.90 HTR1A (0.38) HTR1AUTS2RPDE2ACHRNA7CRHBP
SCHEMBL9205651 0.89 HTR1A (0.38) HTR1AUTS2RPDE2ACHRNA7CRHBP
SCHEMBL9216931 0.86 ACHE (0.36) HTR1AMAPT
SCHEMBL9208988 0.86 HCN4 (0.41) HTR1ACHRNA7SMN1; SMN2MAPTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed