SCHEMBL7700199

SCHEMBL7700199

Cc1ccc2c(c1)[C@@H](c1ccccn1)NCC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.48
KDM1A O60341 2/20 0.42
CYP2D6 P10635 1/20 0.41
RECQL P46063 1/20 0.41
PARP10 Q53GL7 2/20 0.40
TRPM5 Q9NZQ8 1/20 0.40
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPY5R Q15761 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.37
PARP11 Q9NR21 1/20 0.37

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
SCHEMBL7700195 1.00 PRCP (0.48) PRCPKDM1ACYP2D6RECQLPARP10
SCHEMBL7703323 0.83 TRPM5 (0.57) PRCPKDM1ARECQLPARP10TRPM5
SCHEMBL7703317 0.83 TRPM5 (0.57) PRCPKDM1ARECQLPARP10TRPM5
SCHEMBL7703320 0.83 TRPM5 (0.57) PRCPKDM1ARECQLPARP10TRPM5
SCHEMBL7702387 0.82 RECQL (0.59) PRCPRECQLMAPTMEN1KMT2A
SCHEMBL5023257 0.82 RECQL (0.59) PRCPRECQLMAPTMEN1KMT2A
SCHEMBL7698338 0.82 RECQL (0.59) PRCPRECQLMAPTMEN1KMT2A
SCHEMBL2364359 0.78 PRCP (0.67) PRCPKDM1ARECQLTRPM5MEN1
SCHEMBL30973233 0.78 PRCP (0.67) PRCPKDM1ARECQLTRPM5MEN1
SCHEMBL13736863 0.74 TRPM5 (0.35) PRCPRECQLTRPM5NPY5R

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-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed