SCHEMBL8634101

SCHEMBL8634101

C=CCN(C)CCC1CCCc2cc(F)ccc2N1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
RORB Q92753 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
AVPR2 P30518 11/20 0.39
AVPR1A P37288 9/20 0.39
CHRM1 P11229 2/20 0.39
ABCB11 O95342 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TBXA2R P21731 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39

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 SCHEMBL8632581 0.92 AVPR2 (0.44) LMNATP53AVPR2AVPR1ACHRM1
SCHEMBL4687985 0.82 AVPR2 (0.51) LMNATP53AVPR2AVPR1ACHRM1
Hydrochloric Acid SCHEMBL8634036 0.77 AVPR2 (0.51) LMNATP53AVPR2AVPR1ACHRM1
Hydrochloric Acid SCHEMBL8661678 0.77 AVPR2 (0.52) LMNATP53AVPR2AVPR1ACHRM1
SCHEMBL8634103 0.76 AVPR1A (0.41) NR1I2RORARORCNR1H2NR1H3
Hydrochloric Acid SCHEMBL4741673 0.75 AVPR2 (0.59) LMNATP53AVPR2AVPR1ACHRM1
SCHEMBL8652479 0.74 AVPR2 (0.44) LMNATP53AVPR2AVPR1ACHRM1
SCHEMBL8634010 0.74 AVPR2 (0.44) LMNATP53AVPR2AVPR1ACHRM1
SCHEMBL8627356 0.74 AVPR2 (0.44) LMNATP53AVPR2AVPR1ACHRM1
SCHEMBL8632575 0.74 AVPR2 (0.46) LMNATP53AVPR2AVPR1ACHRM1

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-0754681-B1 N-substituted 4-hydroxyindole derivatives and compositions for dyeing keratinous fibers containing them OREAL (FR) 1998-03-04 EP claimed
EP-0780118-B1 Compositions for dyeing keratinous fibers containing N-substituted 4-hydroxy indoline derivatives, and certain of these derivatives OREAL (FR) 1997-12-29 EP claimed