SCHEMBL10518935

SCHEMBL10518935

C#CCOc1cccc2cc3ccccc3cc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ MAOA P21397 6/20 0.44
▸ MAPT P10636 1/20 0.43
▸ HTR1B P28222 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ KCNA3 P22001 1/20 0.40
▸ MTNR1A P48039 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL27715575 0.98 MAOB (0.48) MAOBCYP3A4CYP2A6MAOAMAPT
Aniline SCHEMBL27736319 0.89 MAOB (0.47) MAOBCYP3A4CYP2A6MAOAMAPT
SCHEMBL30000708 0.84 HTR1B (0.55) MAOBCYP3A4CYP2A6HTR1BLOXL2
SCHEMBL2204213 0.84 HTR1B (0.55) MAOBCYP3A4CYP2A6HTR1BLOXL2
SCHEMBL19038911 0.83 CYP3A4 (0.49) MAOBCYP3A4CYP2A6MAOAMTNR1A
SCHEMBL19038908 0.83 MTNR1A (0.53) MAOBCYP3A4CYP2A6MAOALOXL2
Ammonia Solution, Strong SCHEMBL27736316 0.82 HTR1B (0.53) MAOBCYP3A4CYP2A6HTR1BLOXL2
SCHEMBL24452589 0.82 CYP3A4 (0.44) MAOBCYP3A4CYP2A6MAOAMAPT
SCHEMBL19038939 0.81 MAOB (0.53) MAOBMAOAMAPT
SCHEMBL19038909 0.79 CYP3A4 (0.57) MAOBCYP3A4CYP2A6MAOAMAPT

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-0333445-A2 Aromatic allene compounds and preparation thereof NIPPON PAINT CO., LTD. (JP) 1989-09-20 — — EP disclosed
Send feedback