SCHEMBL7863763

SCHEMBL7863763

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
TACR1 P25103 9/20 0.55
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA4 P22748 4/20 0.53
CA9 Q16790 4/20 0.53
MITF O75030 1/20 0.53
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
TACR3 P29371 1/20 0.45
IDE P14735 1/20 0.44
UBE2N P61088 1/20 0.44

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
SCHEMBL5368900 1.00 L3MBTL1 (0.56) L3MBTL1TACR1CA1CA2CA4
SCHEMBL7462348 0.93 L3MBTL1 (0.54) L3MBTL1TACR1CA1CA2CA4
SCHEMBL7823087 0.92 TACR1 (0.66) L3MBTL1TACR1CA1CA2CA4
Hydrochloric Acid SCHEMBL7865340 0.91 RHOC (0.53) L3MBTL1TACR1CA1CA2CA4
Hydrochloric Acid SCHEMBL5366316 0.91 RHOC (0.53) L3MBTL1TACR1CA1CA2CA4
Hydrochloric Acid SCHEMBL8475576 0.91 TACR1 (0.64) L3MBTL1TACR1CA1CA2CA4
SCHEMBL5365341 0.90 CA1 (0.47) L3MBTL1TACR1CA1CA2CA4
SCHEMBL5363052 0.90 L3MBTL1 (0.51) L3MBTL1TACR1CA1CA2CA4
Hydrochloric Acid SCHEMBL6132629 0.89 CA1 (0.48) L3MBTL1TACR1CA1CA2CA4
Hydrochloric Acid SCHEMBL5379462 0.89 CA1 (0.51) L3MBTL1TACR1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed