SCHEMBL7898571

SCHEMBL7898571

O[C@H]1CC[C@H](N2CCN(c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HTR1A P08908 2/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51
HTT P42858 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL7464308 1.00 POLB (0.53) POLBHTR1AHTR2AHTR7HTR6
SCHEMBL3965782 0.86 POLB (0.67) POLBHTR1AHTR2AHTR7HTR6
SCHEMBL7464430 0.85 ALDH1A1 (0.55) POLBHTR1AHTR2AHTR7HTR6
SCHEMBL7897428 0.85 ALDH1A1 (0.55) POLBHTR1AHTR2AHTR7HTR6
SCHEMBL13698475 0.85 POLB (0.65) POLBHTR1AHTR2AHTR7HTR6
SCHEMBL7473599 0.82 POLB (0.53) POLBHTR1AHTR2AHTR7HTR6
SCHEMBL25260 0.81 GRIN2B (0.65) MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL7464119 0.81 POLB (0.49) POLBHTR1AHTR2AHTR7HTR6
SCHEMBL14529001 0.80 L3MBTL3 (0.65) POLBHTR1AHTR2AHTR7HTR6
SCHEMBL26706266 0.80 TSHR (0.60) POLBHTR1AHTR2AHTR7HTR6

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
US-6191130-B1 HYPOTENSIVE AGENTS; THERAPY FOR SEXUAL DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS PIERRE FABRE MEDICAMENT (FR) 2001-02-20 US disclosed