SCHEMBL11840313

SCHEMBL11840313

Cc1ccc2c(c1)C1CNCCC1N2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR6 P50406 1/20 0.39
SRD5A1 P18405 2/20 0.38
HTR2B P41595 3/20 0.38
HTR7 P34969 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR2A P28223 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL11843722 0.82 HTR2B (0.38) HTR2CHTR6HTR2BHTR7TMEM97
SCHEMBL7140355 0.80 HTR2C (0.42) HTR2CHTR6SRD5A1HTR2BHTR2A
SCHEMBL15999467 0.80 HTR2C (0.42) HTR2CHTR6SRD5A1HTR2BHTR2A
SCHEMBL20370870 0.80 SRD5A1 (0.46) HTR6SRD5A1ALDH1A1KDM4EMAPT
SCHEMBL5020544 0.80 ALDH1A1 (0.46) HTR6SRD5A1ALDH1A1KDM4EMAPT
SCHEMBL20370873 0.78 SRD5A1 (0.44) HTR6SRD5A1ALDH1A1KDM4EMAPT
SCHEMBL20370875 0.78 SRD5A1 (0.44) HTR6SRD5A1ALDH1A1KDM4EMAPT
SCHEMBL8032476 0.78 ALDH1A1 (0.42) HTR6ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL12132122 0.76 APP (0.48) HTR2CMEN1KMT2A
SCHEMBL6215962 0.75 HTR2C (0.43) HTR2CSRD5A1HTR2BHTR2AKMT2A

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-3983239-A PSYCHOTROPIC DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-09-28 US disclosed