SCHEMBL9688903

SCHEMBL9688903

CCN(C)c1nccnc1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.42
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL9370567 0.78 EPHX2 (0.50) HTR2CEPHX2
SCHEMBL4316436 0.76 GBA1 (0.44) HTR2C
SCHEMBL13116668 0.75 HTR2C (0.56) HTR2CEPHX2
SCHEMBL18484592 0.73 HTR2C (0.45) HTR2CEPHX2
SCHEMBL9687918 0.72 HTR2C (0.36) HTR2C
SCHEMBL9688689 0.72 CYP2D6 (0.48) HTR2C
SCHEMBL13116676 0.71 HRH4 (0.44) HTR2CEPHX2
SCHEMBL23561114 0.71 HTR2C (0.49) HTR2CEPHX2
SCHEMBL9070490 0.70 EPHX2 (0.51) HTR2CEPHX2
SCHEMBL9370327 0.69 HTR2C (0.43) HTR2CEPHX2

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-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 — — EP disclosed
Send feedback