SCHEMBL9687918

SCHEMBL9687918

CCN(C)c1ccnnc1N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.36
▸ PLD1 Q13393 2/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ NCF1 P14598 1/20 0.36

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 0.80 EPHX2 (0.50) HTR2CPLD1
SCHEMBL9688903 0.72 HTR2C (0.42) HTR2C
SCHEMBL9688689 0.71 CYP2D6 (0.48) HTR2C
SCHEMBL27564193 0.70 HTR2C (0.45) HTR2CHTR2B
SCHEMBL13354907 0.70 HRH4 (0.45) HTR2CPLD1ADRB2NCF1
SCHEMBL14328422 0.70 HTR2C (0.41) HTR2CPLD1ADRB2NCF1
SCHEMBL31651827 0.70 HTR3E (0.49) NCF1
SCHEMBL4727172 0.68 ADRB2 (0.38) HTR2CPLD1ADRB2NCF1
SCHEMBL194495 0.67 NCF1 (0.42) HTR2CPLD1ADRB2NCF1
SCHEMBL20139855 0.67 ROCK2 (0.45) HTR2CPLD1ADRB2NCF1

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
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