SCHEMBL9320601

SCHEMBL9320601

O=C(Cc1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GRM5 P41594 1/20 0.65
HTR1A P08908 5/20 0.65
HTR7 P34969 4/20 0.65
GFER P55789 1/20 0.64
ATM Q13315 1/20 0.64
TSHR P16473 2/20 0.64
HTR2A P28223 1/20 0.62
HTR6 P50406 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA9 Q16790 1/20 0.61

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
SCHEMBL9321229 0.88 KMT2A (0.74) MEN1KMT2AALDH1A1GRM5TSHR
SCHEMBL10911138 0.85 POLB (0.68) MEN1KMT2AALDH1A1SMN1; SMN2ATM
SCHEMBL9321396 0.84 KMT2A (0.62) MEN1KMT2AKDM4EHTR1AHTR7
SCHEMBL264542 0.84 MEN1 (0.74) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4776950 0.82 ALDH1A1 (0.73) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8091444 0.82 MEN1 (0.80) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL16501806 0.81 MEN1 (0.78) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4352910 0.81 MEN1 (0.79) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10976943 0.81 ATM (0.65) MEN1KMT2AHTR1AHTR7ATM
SCHEMBL10981282 0.81 ATM (0.65) MEN1KMT2AHTR1AHTR7ATM

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-0310268-B1 Substituted cycloalkanols AMERICAN HOME PROD (US) 1994-02-02 EP disclosed
US-4826844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 US disclosed
EP-0310268-A2 Substituted cycloalkanols AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP disclosed