SCHEMBL11235378

SCHEMBL11235378

Cc1ccc2c(c1)C(CC1CCNCC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
HTR2C P28335 5/20 0.38
HTR2B P41595 3/20 0.38
SLC6A4 P31645 2/20 0.38
HTR2A P28223 2/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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 SCHEMBL11231689 0.99 KDM1A (0.43) KDM1AHTR2CHTR2BSLC6A4HTR2A
SCHEMBL11231388 0.82 HTR2C (0.52) KDM1AHTR2CHTR2BSLC6A4HTR2A
Hydrochloric Acid SCHEMBL11242374 0.81 HTR2C (0.51) KDM1AHTR2CHTR2BSLC6A4HTR2A
SCHEMBL9635463 0.78 HTR6 (0.46) KDM1AHTR2CHTR2BSLC6A4HTR2A
SCHEMBL11235803 0.73 HTR2C (0.50) HTR2C
SCHEMBL11228929 0.72 MAOA (0.48) KDM1A
Hydrochloric Acid SCHEMBL11226657 0.72 HTR2C (0.49) HTR2C
SCHEMBL12131300 0.71 PDE4B (0.37) HTR2CHTR2BSLC6A4DRD2DRD1
SCHEMBL31028088 0.71 ESR1 (0.39) HTR2CHTR2BSLC6A4DRD2DRD1
SCHEMBL409985 0.70 ACHE (0.43) HTR2CHTR2BSLC6A4HTR2ADRD2

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-4357337-A PIPERIDINYLALKYL DERIVATIVES PHARMINDUSTRIE (FR) 1982-11-02 US disclosed