SCHEMBL7430239

SCHEMBL7430239

O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA7 P43166 2/20 0.65
TSHR P16473 2/20 0.59
MAPT P10636 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD4 P21917 1/20 0.56
KCNT1 Q5JUK3 1/20 0.55
LMNA P02545 2/20 0.54
REV1 Q9UBZ9 1/20 0.54
POLB P06746 1/20 0.52

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
Hydrochloric Acid SCHEMBL7432666 0.99 CA1 (0.64) CA1CA2CA7TSHRMAPT
SCHEMBL7432188 0.82 CA1 (0.46) CA1CA2CA7TSHRMAPT
Hydrochloric Acid SCHEMBL7430301 0.81 CA1 (0.45) CA1CA2CA7TSHRMAPT
SCHEMBL7429730 0.80 MGLL (0.53) MAPTCYP2D6ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7424430 0.79 MGLL (0.53) MAPTCYP2D6ALDH1A1MEN1KMT2A
SCHEMBL7433325 0.79 CYP2C19 (0.63) CA1CA2CA7TSHRMAPT
SCHEMBL7423903 0.78 ALOX15 (0.60) CA1CA2CA7TSHRCYP1A2
SCHEMBL7423492 0.78 ACHE (0.58) CA1CA2CA7MAPTCYP1A2
SCHEMBL6518077 0.77 DRD4 (0.65) TSHRMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3393148 0.76 SLC27A1 (0.62) CA1CA2CA7MAPTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283310-B1 N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-05-26 EP claimed
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 US claimed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 EP claimed
EP-0283310-B1 N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-05-26 EP disclosed
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 US disclosed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 EP disclosed