SCHEMBL8783395

SCHEMBL8783395

CCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N(C)C)c1CN1Cc2ccccc2CC1CO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRB3 P28472 17/20 0.37
▸ GABRA2 P47869 11/20 0.37
▸ GABRB2 P47870 11/20 0.37
▸ GABRP O00591 6/20 0.33
▸ GABRD O14764 6/20 0.33
▸ GABRA1 P14867 6/20 0.33
▸ GABRB1 P18505 6/20 0.33
▸ GABRG2 P18507 6/20 0.33
▸ GABRA5 P31644 6/20 0.33
▸ GABRA3 P34903 6/20 0.33
▸ GABRA4 P48169 6/20 0.33
▸ GABRE P78334 6/20 0.33
▸ GABRA6 Q16445 6/20 0.33
▸ GABRG1 Q8N1C3 6/20 0.33
▸ GABRG3 Q99928 6/20 0.33
▸ GABRQ Q9UN88 6/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ BCL2 P10415 2/20 0.32
▸ BAD Q92934 1/20 0.32

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
SCHEMBL8783141 0.91 CCNE2 (0.35) BCL2BAD
SCHEMBL7604179 0.90 GABRB3 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8783693 0.90 GABRB3 (0.34) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7604165 0.90 GABRB3 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9394294 0.89 GABRP (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8329393 0.89 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8784237 0.81 MEN1 (0.36) BCL2BAD
SCHEMBL8783619 0.81 CCNE2 (0.32) BCL2
SCHEMBL8326640 0.80 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8506845 0.80 GABRP (0.44) GABRB3GABRA2GABRB2GABRPGABRD

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-0674625-B1 AMINO-SUBSTITUTED PYRAZOLES HAVING CRF ANTAGONISTIC ACTIVITY PFIZER (US) 1997-12-10 — — EP disclosed
US-5668145-A Amino-substituted pyrazoles having CRF antagonistic activity PFIZER INC. (US) 1997-09-16 — — US disclosed
Send feedback