SCHEMBL11166558

SCHEMBL11166558

Clc1cccc(N2CCNCC2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.57
HTR2A P28223 9/20 0.57
HTR2B P41595 9/20 0.57
SLC6A4 P31645 2/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
ADRB1 P08588 1/20 0.57
CYP3A4 P08684 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2D6 P10635 1/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTR7 P34969 1/20 0.57
HTT P42858 1/20 0.57
HTR3A P46098 1/20 0.57
HTR6 P50406 1/20 0.57
HTR3D Q70Z44 1/20 0.57

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
SCHEMBL5630950 0.83 HTR2C (0.55) HTR2CHTR2AHTR2BSLC6A4HTR3E
SCHEMBL5365024 0.83 ADRB1 (0.55) HTR2CHTR2AHTR2BSLC6A4ADRB1
SCHEMBL17884647 0.83 HTR2C (0.55) HTR2CHTR2AHTR2BSLC6A4HTR3E
SCHEMBL5315713 0.83 HTR2C (0.56) HTR2CHTR2AHTR2BSLC6A4HTR3E
SCHEMBL23777584 0.83 HTR2C (0.55) HTR2CHTR2AHTR2BSLC6A4HTR3E
Hydrochloric Acid SCHEMBL5373701 0.82 ADRB1 (0.54) HTR2CHTR2AHTR2BSLC6A4ADRB1
SCHEMBL988610 0.82 SLC6A2 (0.57) HTR2CHTR2AHTR2BSLC6A4HTR3E
SCHEMBL4991540 0.81 DRD2 (0.57) HTR2CHTR2AHTR2BSLC6A4DRD2
SCHEMBL27523649 0.81 HTR2A (0.53) HTR2CHTR2AHTR2BSLC6A4HTR3E
SCHEMBL27492442 0.81 HTR2C (0.53) HTR2CHTR2AHTR2BSLC6A4HTR3E

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
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP disclosed